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ChEBI
> Main
CHEBI:34150 - 12-Nitro-9Z,12Z-octadecadienoic acid
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ChEBI Ontology
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ChEBI Name
12-Nitro-9Z,12Z-octadecadienoic acid
ChEBI ID
CHEBI:34150
Stars
This entity has been manually annotated by a third party.
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Formula
C18H31NO4
Net Charge
0
Average Mass
325.444
Monoisotopic Mass
325.22531
InChI
InChI=1S/C18H31NO4/c1-
2-
3-
4-
11-
14-
17(19(22)
23)
15-
12-
9-
7-
5-
6-
8-
10-
13-
16-
18(20)
21/h9,12,14H,2-
8,10-
11,13,15-
16H2,1H3,(H,20,21)
/b12-
9-
,17-
14+
InChIKey
ZYFTUIURWQWFKQ-QIAGQCQHSA-N
SMILES
CCCCC\C=C(/C\C=C/CCCCCCCC(O)=O)[N+]([O-])=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
12-Nitro-9Z,12Z-octadecadienoic acid (
CHEBI:34150
)
is a
nitro fatty acid (
CHEBI:86286
)
12-Nitro-9Z,12Z-octadecadienoic acid (
CHEBI:34150
)
is a
octadecadienoic acid (
CHEBI:25627
)
Synonyms
Sources
(9Z,12E)-12-Nitrooctadeca-9,12-dienoic acid
KEGG COMPOUND
(9Z,12Z)-12-Nitrooctadeca-9,12-dienoic acid
KEGG COMPOUND
12-Nitro-9-cis,12-cis-octadecadienoic acid
KEGG COMPOUND
12-Nitro-9Z,12Z-octadecadienoate
KEGG COMPOUND
12-Nitro-9Z,12Z-octadecadienoic acid
KEGG COMPOUND
Manual Xrefs
Databases
C13958
KEGG COMPOUND
LNB
PDBeChem
View more database links
Last Modified
23 February 2022